4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide

C14H21FN2O — CID 81366180

IUPAC4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide
SMILESC[C@H](NC(=O)CCC(C)(C)N)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-10(11-5-4-6-12(15)9-11)17-13(18)7-8-14(2,3)16/h4-6,9-10H,7-8,16H2,1-3H3,(H,17,18)/t10-/m0/s1
InChIKeyLXNBMSAIAHIMEV-JTQLQIEISA-N
MW252.33 g/mol
LogP2.52
Rot. Bonds5

About 4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide

4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide (PubChem CID 81366180) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide
PubChem CID81366180
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide
SMILESC[C@H](NC(=O)CCC(C)(C)N)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-10(11-5-4-6-12(15)9-11)17-13(18)7-8-14(2,3)16/h4-6,9-10H,7-8,16H2,1-3H3,(H,17,18)/t10-/m0/s1
InChIKeyLXNBMSAIAHIMEV-JTQLQIEISA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366054
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81366330
6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide
CID 81366520
N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide
CID 79199383
2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81365784
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940549
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 81369898
5-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 81369534
2-amino-3,3,3-trifluoro-N-[1-(3-fluorophenyl)ethyl]-2-methylpropanamide
CID 79805972
2-amino-2-ethyl-N-[1-(3-fluorophenyl)ethyl]butanamide
CID 79814759
3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366317
3-(ethylamino)-N-[1-(3-fluorophenyl)ethyl]butanamide
CID 55121061

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide?
The IUPAC name of 4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide (CID 81366180) is 4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for 4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide?
The canonical SMILES for 4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide is C[C@H](NC(=O)CCC(C)(C)N)c1cccc(F)c1.
What is the InChIKey of 4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide?
The InChIKey is LXNBMSAIAHIMEV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(11-5-4-6-12(15)9-11)17-13(18)7-8-14(2,3)16/h4-6,9-10H,7-8,16H2,1-3H3,(H,17,18)/t10-/m0/s1.
What are the key properties of 4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide?
4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide has a molecular weight of 252.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 81366180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).